Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | > | 50 | ug/ml | 15730238 |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 1.5 | ug/ml | PubChem BioAssay data set |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | ED50 | = | 2.5 | ug/ml | PubChem BioAssay data set |
NPT574 | Cell Line | XF498 | Homo sapiens | ED50 | = | 3.2 | ug/ml | 19581457 |
NPT148 | Cell Line | HCT-15 | Homo sapiens | ED50 | = | 5.2 | ug/ml | 10386923 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC145755 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
1.0 | High Similarity | NPC267514 |
0.9268 | High Similarity | NPC7754 |
0.9268 | High Similarity | NPC270170 |
0.8889 | High Similarity | NPC471958 |
0.878 | High Similarity | NPC217923 |
0.8511 | High Similarity | NPC474391 |
0.8444 | Intermediate Similarity | NPC474362 |
0.8444 | Intermediate Similarity | NPC474202 |
0.7778 | Intermediate Similarity | NPC298710 |
0.7778 | Intermediate Similarity | NPC67920 |
0.7778 | Intermediate Similarity | NPC287397 |
0.7692 | Intermediate Similarity | NPC471239 |
0.7556 | Intermediate Similarity | NPC33489 |
0.75 | Intermediate Similarity | NPC100380 |
0.7292 | Intermediate Similarity | NPC191337 |
0.7273 | Intermediate Similarity | NPC92863 |
0.7273 | Intermediate Similarity | NPC155880 |
0.7255 | Intermediate Similarity | NPC477458 |
0.7234 | Intermediate Similarity | NPC216921 |
0.7234 | Intermediate Similarity | NPC301972 |
0.7222 | Intermediate Similarity | NPC473733 |
0.72 | Intermediate Similarity | NPC145311 |
0.717 | Intermediate Similarity | NPC300121 |
0.7143 | Intermediate Similarity | NPC8610 |
0.7143 | Intermediate Similarity | NPC62779 |
0.7143 | Intermediate Similarity | NPC55063 |
0.7143 | Intermediate Similarity | NPC262558 |
0.7143 | Intermediate Similarity | NPC19834 |
0.7111 | Intermediate Similarity | NPC33761 |
0.7083 | Intermediate Similarity | NPC477686 |
0.7083 | Intermediate Similarity | NPC108195 |
0.7059 | Intermediate Similarity | NPC15325 |
0.7021 | Intermediate Similarity | NPC208936 |
0.7021 | Intermediate Similarity | NPC149668 |
0.7018 | Intermediate Similarity | NPC235242 |
0.7 | Intermediate Similarity | NPC324812 |
0.6981 | Remote Similarity | NPC284224 |
0.6977 | Remote Similarity | NPC182392 |
0.6957 | Remote Similarity | NPC113082 |
0.6939 | Remote Similarity | NPC269074 |
0.6897 | Remote Similarity | NPC168407 |
0.6889 | Remote Similarity | NPC180840 |
0.6863 | Remote Similarity | NPC248884 |
0.6863 | Remote Similarity | NPC85079 |
0.6863 | Remote Similarity | NPC31194 |
0.6852 | Remote Similarity | NPC48058 |
0.6786 | Remote Similarity | NPC193975 |
0.6744 | Remote Similarity | NPC12889 |
0.6735 | Remote Similarity | NPC25771 |
0.6735 | Remote Similarity | NPC101616 |
0.6731 | Remote Similarity | NPC72699 |
0.6731 | Remote Similarity | NPC20934 |
0.6731 | Remote Similarity | NPC474642 |
0.6731 | Remote Similarity | NPC118788 |
0.6731 | Remote Similarity | NPC249670 |
0.6731 | Remote Similarity | NPC288381 |
0.6731 | Remote Similarity | NPC473913 |
0.6667 | Remote Similarity | NPC295777 |
0.6667 | Remote Similarity | NPC69898 |
0.6667 | Remote Similarity | NPC185839 |
0.6667 | Remote Similarity | NPC24833 |
0.6667 | Remote Similarity | NPC151719 |
0.6667 | Remote Similarity | NPC60772 |
0.6667 | Remote Similarity | NPC14002 |
0.6667 | Remote Similarity | NPC296311 |
0.6667 | Remote Similarity | NPC61177 |
0.6667 | Remote Similarity | NPC279300 |
0.6667 | Remote Similarity | NPC196831 |
0.6667 | Remote Similarity | NPC220061 |
0.6607 | Remote Similarity | NPC325977 |
0.6604 | Remote Similarity | NPC151782 |
0.6604 | Remote Similarity | NPC234829 |
0.66 | Remote Similarity | NPC239754 |
0.66 | Remote Similarity | NPC276825 |
0.6596 | Remote Similarity | NPC27444 |
0.6596 | Remote Similarity | NPC18205 |
0.6596 | Remote Similarity | NPC329762 |
0.6596 | Remote Similarity | NPC103236 |
0.6596 | Remote Similarity | NPC111474 |
0.6596 | Remote Similarity | NPC12319 |
0.6596 | Remote Similarity | NPC323278 |
0.6591 | Remote Similarity | NPC269641 |
0.6552 | Remote Similarity | NPC274927 |
0.6552 | Remote Similarity | NPC106851 |
0.6545 | Remote Similarity | NPC322461 |
0.6545 | Remote Similarity | NPC5626 |
0.6545 | Remote Similarity | NPC269615 |
0.6538 | Remote Similarity | NPC302310 |
0.6538 | Remote Similarity | NPC125122 |
0.6538 | Remote Similarity | NPC153538 |
0.6538 | Remote Similarity | NPC471275 |
0.6538 | Remote Similarity | NPC471280 |
0.6538 | Remote Similarity | NPC471276 |
0.6531 | Remote Similarity | NPC292463 |
0.6512 | Remote Similarity | NPC266979 |
0.6491 | Remote Similarity | NPC471277 |
0.6491 | Remote Similarity | NPC281230 |
0.6491 | Remote Similarity | NPC471279 |
0.6491 | Remote Similarity | NPC192843 |
0.6481 | Remote Similarity | NPC473705 |
0.6471 | Remote Similarity | NPC471752 |
0.6471 | Remote Similarity | NPC180575 |
0.6471 | Remote Similarity | NPC124183 |
0.6471 | Remote Similarity | NPC44363 |
0.6471 | Remote Similarity | NPC110234 |
0.6471 | Remote Similarity | NPC35141 |
0.6471 | Remote Similarity | NPC163751 |
0.6444 | Remote Similarity | NPC75204 |
0.6444 | Remote Similarity | NPC38497 |
0.6441 | Remote Similarity | NPC229252 |
0.6441 | Remote Similarity | NPC251042 |
0.6441 | Remote Similarity | NPC174447 |
0.6441 | Remote Similarity | NPC122521 |
0.6441 | Remote Similarity | NPC143857 |
0.6429 | Remote Similarity | NPC474672 |
0.6429 | Remote Similarity | NPC477984 |
0.6429 | Remote Similarity | NPC474513 |
0.6429 | Remote Similarity | NPC146551 |
0.6429 | Remote Similarity | NPC470963 |
0.6415 | Remote Similarity | NPC176819 |
0.6415 | Remote Similarity | NPC228776 |
0.6415 | Remote Similarity | NPC477727 |
0.6415 | Remote Similarity | NPC32351 |
0.6415 | Remote Similarity | NPC163984 |
0.6415 | Remote Similarity | NPC199286 |
0.6415 | Remote Similarity | NPC58970 |
0.6415 | Remote Similarity | NPC471281 |
0.64 | Remote Similarity | NPC471753 |
0.6364 | Remote Similarity | NPC23117 |
0.6364 | Remote Similarity | NPC37644 |
0.6349 | Remote Similarity | NPC225272 |
0.6333 | Remote Similarity | NPC40082 |
0.6327 | Remote Similarity | NPC304151 |
0.6316 | Remote Similarity | NPC311648 |
0.6316 | Remote Similarity | NPC179764 |
0.6316 | Remote Similarity | NPC187777 |
0.6316 | Remote Similarity | NPC470964 |
0.6304 | Remote Similarity | NPC216416 |
0.6296 | Remote Similarity | NPC170776 |
0.6296 | Remote Similarity | NPC76198 |
0.6296 | Remote Similarity | NPC9273 |
0.6296 | Remote Similarity | NPC471959 |
0.6296 | Remote Similarity | NPC93639 |
0.6296 | Remote Similarity | NPC329608 |
0.6296 | Remote Similarity | NPC165447 |
0.6296 | Remote Similarity | NPC294278 |
0.6296 | Remote Similarity | NPC256656 |
0.6296 | Remote Similarity | NPC55383 |
0.6296 | Remote Similarity | NPC89824 |
0.6296 | Remote Similarity | NPC477723 |
0.6296 | Remote Similarity | NPC475477 |
0.6296 | Remote Similarity | NPC197272 |
0.6296 | Remote Similarity | NPC224148 |
0.6275 | Remote Similarity | NPC166788 |
0.6271 | Remote Similarity | NPC474267 |
0.6271 | Remote Similarity | NPC473652 |
0.6271 | Remote Similarity | NPC329424 |
0.625 | Remote Similarity | NPC256209 |
0.625 | Remote Similarity | NPC49059 |
0.6226 | Remote Similarity | NPC207815 |
0.6222 | Remote Similarity | NPC72258 |
0.6207 | Remote Similarity | NPC208749 |
0.6207 | Remote Similarity | NPC594 |
0.6207 | Remote Similarity | NPC212730 |
0.6207 | Remote Similarity | NPC48968 |
0.6207 | Remote Similarity | NPC265551 |
0.6207 | Remote Similarity | NPC321568 |
0.6207 | Remote Similarity | NPC281986 |
0.6207 | Remote Similarity | NPC22019 |
0.619 | Remote Similarity | NPC155900 |
0.619 | Remote Similarity | NPC34671 |
0.6182 | Remote Similarity | NPC142092 |
0.6182 | Remote Similarity | NPC471751 |
0.6182 | Remote Similarity | NPC106531 |
0.617 | Remote Similarity | NPC130923 |
0.6167 | Remote Similarity | NPC471278 |
0.6167 | Remote Similarity | NPC25853 |
0.6154 | Remote Similarity | NPC157096 |
0.614 | Remote Similarity | NPC274290 |
0.614 | Remote Similarity | NPC473863 |
0.614 | Remote Similarity | NPC474644 |
0.614 | Remote Similarity | NPC152668 |
0.614 | Remote Similarity | NPC317899 |
0.614 | Remote Similarity | NPC275472 |
0.614 | Remote Similarity | NPC54766 |
0.614 | Remote Similarity | NPC45626 |
0.6136 | Remote Similarity | NPC304788 |
0.6111 | Remote Similarity | NPC224227 |
0.6111 | Remote Similarity | NPC301482 |
0.6111 | Remote Similarity | NPC473487 |
0.6111 | Remote Similarity | NPC225974 |
0.6111 | Remote Similarity | NPC59051 |
0.6102 | Remote Similarity | NPC94991 |
0.6102 | Remote Similarity | NPC469373 |
0.6102 | Remote Similarity | NPC30215 |
0.6102 | Remote Similarity | NPC266295 |
0.6102 | Remote Similarity | NPC311852 |
0.6102 | Remote Similarity | NPC329819 |
0.6094 | Remote Similarity | NPC473752 |
0.6087 | Remote Similarity | NPC213767 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC145755 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.6739 | Remote Similarity | NPD5783 | Phase 3 |
0.6429 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD29 | Approved |
0.6 | Remote Similarity | NPD28 | Approved |
0.5962 | Remote Similarity | NPD3174 | Discontinued |
0.5962 | Remote Similarity | NPD39 | Approved |
0.5938 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD4220 | Pre-registration |
0.5846 | Remote Similarity | NPD3709 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD3172 | Approved |
0.5714 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.569 | Remote Similarity | NPD3196 | Approved |
0.569 | Remote Similarity | NPD3194 | Approved |
0.569 | Remote Similarity | NPD4266 | Approved |
0.569 | Remote Similarity | NPD3195 | Phase 2 |
0.566 | Remote Similarity | NPD4222 | Approved |
0.5636 | Remote Similarity | NPD3173 | Approved |
PubChem CID   | 10633944 |
ChEMBL   | CHEMBL488409 |
ZINC   |
Molecular Weight:   | 242.17 |
ALogP:   | 0.8735 |
MLogP:   | 3.22 |
XLogP:   | 6.069 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 18 |